SCHEMBL8252004

SCHEMBL8252004

CC(C)Cc1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 5/20 0.59
ACACB O00763 2/20 0.56
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
DRD3 P35462 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.49
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PDE6D O43924 1/20 0.47
ACKR3 P25106 1/20 0.47
SMYD3 Q9H7B4 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22817194 0.92 NPC1 (0.63) RAB9ASMN1; SMN2NPC1ACACBKMT2A
SCHEMBL14131006 0.84 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2NPC1ACACBKMT2A
SCHEMBL8272807 0.81 PLK1 (0.59) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL20954318 0.80 RAB9A (0.59) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL8337991 0.79 PLK1 (0.62) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL105169 0.78 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL2024298 0.78 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL14115713 0.78 PRSS1 (0.60) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL2536584 0.78 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3388373 0.78 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 RAB9A 2564/4885SMN1; SMN2 4275/4885NPC1 387/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 RAB9A 2564/4885SMN1; SMN2 4275/4885NPC1 387/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 RAB9A 2564/4885SMN1; SMN2 4275/4885NPC1 387/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 RAB9A 1907/4885SMN1; SMN2 2806/4885NPC1 53/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 RAB9A 730/4885SMN1; SMN2 2894/4885NPC1 735/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 RAB9A 4274/4885SMN1; SMN2 2055/4885NPC1 956/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 RAB9A 2564/4885SMN1; SMN2 4275/4885NPC1 387/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.